| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 20 | Yes |
Popular Name: (2,5-dimethyl-3-thienyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (2,5-dimethyl-3-thienyl)-[4-[(2R…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.06 | 3.52 | -9.3 | 1 | 4 | 0 | 44 | 296.436 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 5.82 | -43.57 | 2 | 4 | 1 | 45 | 297.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
